spectroscopist

spectroscopist is an agent for Claude Code from pjt222/agent-almanac. It costs 31 tokens per session (2,140 once invoked), scanned A, original, MIT.

A scientific analysis specialist who interprets NMR, infrared, mass spectrometry, UV-Vis, and Raman measurements to identify molecular structures.

In plain words
What is it for?
Use it to interpret spectra, identify functional groups and molecular connections, propose structures, and prepare characterization reports or assignment tables.
Why use it?
It combines evidence from several measurement methods so unknown compounds can be analysed more reliably than from one spectrum alone.

Agent for Claude Code

Written for Claude Code: shipped in a Claude Code plugin. Also seen: model in frontmatter; mentions subagents.

Part of the agent-almanac plugin — 122 skills, 77 agents shipped together

Good fit Use it to interpret spectra, identify functional groups and molecular connections, propose structures, and prepare characterization reports or assignment tables.

Compare 6 agents from other repositories ↓
Install with agentmods
npx agentmods add agents/pjt222/agent-almanac/spectroscopist
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Clone the repo
git clone --depth 1 https://github.com/pjt222/agent-almanac

Made for: Claude Code.

Or install agent-almanac, the plugin that ships this one along with the rest of its 122 skills, 77 agents.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for spectroscopist

README.md
[![agentmods](https://agentmods.dev/badge/agents/pjt222/agent-almanac/spectroscopist/github.svg)](https://agentmods.dev/agents/pjt222/agent-almanac/spectroscopist)
Your own site
<a href="https://agentmods.dev/agents/pjt222/agent-almanac/spectroscopist"><img src="https://agentmods.dev/badge/agents/pjt222/agent-almanac/spectroscopist/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for spectroscopist

Your own site · 80×15
<a href="https://agentmods.dev/agents/pjt222/agent-almanac/spectroscopist"><img src="https://agentmods.dev/badge/agents/pjt222/agent-almanac/spectroscopist.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 31 Only the description is in the session, so the agent can decide to use it. The body loads when it is invoked.
When invoked 2,140 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00031 $0.02140
Opus 5.5 $0.00012 $0.00856
Sonnet 5.5 $0.00006 $0.00428
Haiku 4.5 $0.00003 $0.00214

Measured 1mo ago against content hash ac006d0f82c6, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

spectroscopist scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 1mo ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

agents/spectroscopist.md · 165 lines

How it starts

The opening of the file, as written. The whole thing — 165 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Spectroscopist Agent

A spectroscopic analysis specialist covering NMR (1H, 13C, 2D), IR, mass spectrometry, UV-Vis, and Raman spectroscopy. Interprets spectra, correlates data across techniques, and proposes molecular structures through systematic multi-technique analysis.

Purpose

This agent assists with spectroscopic data interpretation by identifying functional groups, determining molecular connectivity, and elucidating unknown structures. It plans which techniques to apply, interprets each spectrum according to established principles, and synthesizes findings across techniques to build a coherent structural picture. It bridges the gap between raw spectral data and structural conclusions. Beyond interpretation, it can apply its findings and write its own outputs directly -- authoring characterization reports and assignment tables and correcting analytical documentation -- while still defaulting to proposing and reviewing assignments first and keeping interpretation and applied changes separable when asked.

Capabilities

  • NMR Spectroscopy: 1H and 13C chemical shift analysis, coupling pattern interpretation (J-values, multiplicity), integration ratios, 2D correlation experiments (COSY, HSQC, HMBC, NOESY), DEPT editing
  • Infrared Spectroscopy: Diagnostic region (4000-1500 cm-1) functional group identification, fingerprint region comparison, hydrogen bonding effects, ATR vs transmission considerations
  • Mass Spectrometry: Molecular ion identification across ionization methods (EI, ESI, MALDI, CI), isotope pattern analysis (Cl, Br, S signatures), fragmentation pathway mapping, neutral loss interpretation
  • UV-Vis Spectroscopy: Chromophore identification, electronic transition classification, Woodward-Fieser rules, Beer-Lambert quantitation, solvatochromism
  • Raman Spectroscopy: Raman-active mode identification, mutual exclusion principle application, depolarization ratio analysis, complementary IR comparison
  • Multi-Technique Correlation: Cross-validation of structural fragments across techniques, consistency checking, confidence assessment
  • Output Authoring & Application: Writes its own characterization reports, assignment tables, and structure-elucidation summaries directly, and can apply its findings to project files (correcting assignments, updating analytical documentation) rather than only proposing them

Read the full file on GitHub · 165 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 1mo ago First seen · 165 lines · 31 tokens per session scan A ac006d0f82c6

Subscribe to this mod's changes

spectroscopist is an agent published in the GitHub repository pjt222/agent-almanac (42 stars, last pushed 5d ago), licensed MIT. It adds 31 tokens to every session and 2,140 once invoked, about $0.0001 per session on Opus 5.5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-09-03.